N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide

C21H16N2O2S2 — CID 3730212

IUPACN-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C21H16N2O2S2/c24-27(25,20-14-6-8-16-9-7-15-22-21(16)20)23-18-12-4-5-13-19(18)26-17-10-2-1-3-11-17/h1-15,23H
InChIKeyFYAHTZUPFLUPEQ-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.19
Rot. Bonds5

About N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide

N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide (PubChem CID 3730212) has the molecular formula C21H16N2O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
PubChem CID3730212
Molecular FormulaC21H16N2O2S2
Molecular Weight392.51 g/mol
Exact Mass392.07
IUPAC NameN-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C21H16N2O2S2/c24-27(25,20-14-6-8-16-9-7-15-22-21(16)20)23-18-12-4-5-13-19(18)26-17-10-2-1-3-11-17/h1-15,23H
InChIKeyFYAHTZUPFLUPEQ-UHFFFAOYSA-N
XLogP5.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)quinoline-8-sulfonamide
CID 58565702
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide (CID 3730212) is N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide is O=S(=O)(Nc1ccccc1Sc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide?
The InChIKey is FYAHTZUPFLUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S2/c24-27(25,20-14-6-8-16-9-7-15-22-21(16)20)23-18-12-4-5-13-19(18)26-17-10-2-1-3-11-17/h1-15,23H.
What are the key properties of N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide?
N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide has a molecular weight of 392.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 3730212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).